Data related to the article "Frequency-dependent impedance of nanocapacitors from electrode charge fluctuations as a probe of electrolyte dynamics"

Contains input files and data used to generate the figures of the article: Frequency-dependent impedance of nanocapacitors from electrode charge fluctuations as a probe of electrolyte dynamics<br> (Giovanni Pireddu and Benjamin Rotenberg) arXiv: https://arxiv.org/abs/2206.13322 The folder EXAMPLE_INPUT_FILES contains typical MetalWalls (repository) input files used to perform the simulations. The folder DATA_FIGURES contains the processed data used to plot all the figures of the paper (see below).<br> The 'd*' labels are used in the directory or file names to refer to the following interelectrode distances considered:<br> - 'd1' corresponds to 2.51 nm;<br> - 'd2' corresponds to 4.94 nm;<br> - 'd3' corresponds to 9.76 nm;<br> - 'd4' corresponds to 19.42 nm; <br> Figure 1:<br> - 'Fig1_Continuum.dat': <br> - Capacitance calculated considering a continuum approximation<br> - 'Fig1_DDS.dat':<br> - Capacitance calculated considering the DDS model (three capacitors in series)<br> - 'Fig1_MD.dat':<br> - Capacitance calculated from MD simulations. Includes the capacitance of the empty capacitor. Figure 2:<br> Panel A<br> - 'Fig2_QACFd*.dat':<br> - Time autocorrelation function of the electrode charge fluctuations<br> Panel B<br> - 'Fig2_Qrampd*.dat':<br> - Charge profile upon a step in voltage (0 to 1 V)<br> - 'Fig2_Vramp.dat':<br> - Voltage ramp related to the charging profiles<br> Panel C<br> - 'Fig2_QACFNormd*.dat':<br> - Normalized charge autocorrelation function<br> -'Fig2_QrampNormd*.dat'<br> - Normalized charge profile Figure 3:<br> - 'Fig3_MDd*.dat':<br> - Real and imaginary parts of impedance as estimated from MD simulations<br> - 'Fig3_ECd*.dat'<br> - Real and imaginary parts of impedance as calculated from the equivalent circuit models Figure 4:<br> - 'Fig4_MDd*.dat':<br> - Magnitude of admittance as estimated from MD simulations<br> - 'Fig4_Debyed*.dat':<br> - Magnitude of admittance as calculated from the Debye relaxation model<br> Inset<br> - 'Fig4_MDTau.dat':<br> - Relaxation time estimated from MD simulations<br> - 'Fig4_TauFit.dat':<br> - Fit of the relaxation time